2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C8H9F3N2OS — CID 39072071

IUPAC2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-5-4-15-6(13-5)2-3-12-7(14)8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyRRHIGEXXJSYSHV-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.67
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 39072071) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID39072071
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(CCNC(=O)C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2OS/c1-5-4-15-6(13-5)2-3-12-7(14)8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyRRHIGEXXJSYSHV-UHFFFAOYSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 39072071) is 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1csc(CCNC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is RRHIGEXXJSYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5-4-15-6(13-5)2-3-12-7(14)8(9,10)11/h4H,2-3H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 238.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 39072071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).